title: The effect of confinement on water structure.
abstract: Neutron diffraction experiments with hydrogen isotope substitution on water confined in MCM41-S15 have been performed at temperatures of 300 and 210 K. Data are analyzed at a microscopic level using a revised version of the empirical potential structure refinement technique. It is found that the influence of the substrate on the water structure is not negligible and depends on the temperature: owing to the geometrical constraints and the symmetry breaking induced by the wall, comparison with the corresponding bulk phases is not straightforward and standard analysis should be replaced by a more suitable one.
authors.affiliation: CNR Istituto Sistemi Complessi, via Madonna del Piano 10, I-50019 Sesto Fiorentino (FI), Italy. mancinelli@fis.uniroma3.it
authors.forename: R
authors.initials: R
authors.lastname: Mancinelli
mesh_terms: D003198:Computer Simulation; D006859:Hydrogen / Q000737:chemistry*; D008958:Models, Molecular; D009010:Monte Carlo Method; D033363:Neutron Diffraction; D014867:Water / Q000737:chemistry*
chemical_list: D014867:Water; D006859:Hydrogen